N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide

C20H20N4O2S — CID 24947107

IUPACN-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)CNc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C20H20N4O2S/c1-22-19(25)11-23-16-5-2-13(3-6-16)20(26)24-18-10-14(4-7-17(18)21)15-8-9-27-12-15/h2-10,12,23H,11,21H2,1H3,(H,22,25)(H,24,26)
InChIKeyOUJSNEFGFFDBEM-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.41
Rot. Bonds6

About N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide

N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide (PubChem CID 24947107) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
PubChem CID24947107
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)CNc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C20H20N4O2S/c1-22-19(25)11-23-16-5-2-13(3-6-16)20(26)24-18-10-14(4-7-17(18)21)15-8-9-27-12-15/h2-10,12,23H,11,21H2,1H3,(H,22,25)(H,24,26)
InChIKeyOUJSNEFGFFDBEM-UHFFFAOYSA-N
XLogP3.41
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
CID 68725610
2-(dimethylamino)ethyl N-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]carbamate
CID 69101191
[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
CID 69101275
N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 24753767
4-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]butanoic acid
CID 158119892
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-benzylcarbamic acid
CID 24753578
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-oxo-1-(propylamino)propan-2-yl]carbamic acid
CID 67497874
N-(2-amino-5-thiophen-3-ylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575858
N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947291
N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
CID 142682988
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamic acid
CID 67497881
N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
CID 143614084

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide (CID 24947107) is N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide is CNC(=O)CNc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is OUJSNEFGFFDBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-22-19(25)11-23-16-5-2-13(3-6-16)20(26)24-18-10-14(4-7-17(18)21)15-8-9-27-12-15/h2-10,12,23H,11,21H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 24947107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).